2-ethyl-1,3-thiazole-5-carbaldehyde

C6H7NOS — CID 45121743

IUPAC2-ethyl-1,3-thiazole-5-carbaldehyde
SMILESCCc1ncc(C=O)s1
InChIInChI=1S/C6H7NOS/c1-2-6-7-3-5(4-8)9-6/h3-4H,2H2,1H3
InChIKeyTVIVXJHUFQPZPT-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.52
Rot. Bonds2

About 2-ethyl-1,3-thiazole-5-carbaldehyde

2-ethyl-1,3-thiazole-5-carbaldehyde (PubChem CID 45121743) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-1,3-thiazole-5-carbaldehyde
PubChem CID45121743
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name2-ethyl-1,3-thiazole-5-carbaldehyde
SMILESCCc1ncc(C=O)s1
InChIInChI=1S/C6H7NOS/c1-2-6-7-3-5(4-8)9-6/h3-4H,2H2,1H3
InChIKeyTVIVXJHUFQPZPT-UHFFFAOYSA-N
XLogP1.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-ethyl-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-ethyl-1,3-thiazole-5-carbaldehyde (CID 45121743) is 2-ethyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-1,3-thiazole-5-carbaldehyde is CCc1ncc(C=O)s1.
What is the InChIKey of 2-ethyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is TVIVXJHUFQPZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-2-6-7-3-5(4-8)9-6/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-thiazole-5-carbaldehyde?
2-ethyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 141.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 45121743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).